General Information of the Compound
| Compound ID |
CP0866109
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| Compound Name |
N-(2,6-difluorophenyl)-5-(7-fluoro-3-{2-[(2-(methyloxy)-4-{4-[2-(methylsulfonyl)ethyl]-1-piperidinyl}phenyl)amino]-4-pyrimidinyl}imidazo[1,2-a]pyridin-2-yl)-2-(methyloxy)benzamide
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| Structure |
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| Formula |
C40H38F3N7O5S
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| Molecular Weight |
785.849
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| Canonical SMILES |
COc1cc(N2CCC(CCS(C)(=O)=O)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3cc(F)ccn23)n1
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| InChI |
InChI=1S/C40H38F3N7O5S/c1-54-33-10-7-25(21-28(33)39(51)48-37-29(42)5-4-6-30(37)43)36-38(50-19-14-26(41)22-35(50)47-36)32-11-16-44-40(46-32)45-31-9-8-27(23-34(31)55-2)49-17-12-24(13-18-49)15-20-56(3,52)53/h4-11,14,16,19,21-24H,12-13,15,17-18,20H2,1-3H3,(H,48,51)(H,44,45,46)
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| InChIKey |
PGSWZQCCZKKHSP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor